2-(2-oxopyrrolidin-1-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}propanamide

• ChemBase编号: 510905
• 分子式: C15H18N4O2
• 平均质量: 286.32902
• 单一同位素质量: 286.14297584
• SMILES: N1(C(=O)CCC1)C(C(=O)NCc1c2n(nc1)cccc2)C
• Canonical SMILES: O=C(C(N1CCCC1=O)C)NCc1cnn2c1cccc2
• InChI: InChI=1S/C15H18N4O2/c1-11(18-7-4-6-14(18)20)15(21)16-9-12-10-17-19-8-3-2-5-13(12)19/h2-3,5,8,10-11H,4,6-7,9H2,1H3,(H,16,21)
• InChIKey: UDETTZBFRMQNEG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-oxopyrrolidin-1-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}propanamide
• IUPAC传统名: 2-(2-oxopyrrolidin-1-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}propanamide
• 别名: 2-(2-oxopyrrolidin-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide

理论计算性质

JChem

• Acid pKa: 14.928894
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.36190096
• LogD (pH = 7.4): 0.36195734
• Log P: 0.36195806
• 摩尔折射率: 88.9845 cm^3
• 极化性: 30.37269 Å^3
• 极化表面积: 66.71 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 0.17
• LOG S: -2.74
• 极化表面积: 66.71 Å^2
• 可自由旋转的化学键: 4